SCHEMBL6540796

SCHEMBL6540796

O=S(=O)(c1cccc(O)c1)c1cccc(CCN(Cc2ccccc2)C[C@H](O)c2cccc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.47
OPRM1 P35372 10/20 0.47
OPRD1 P41143 10/20 0.47
KCNH2 Q12809 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
ADRB2 P07550 1/20 0.39
ADRB3 P13945 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
SPPL2A Q8TCT8 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
HTR6 P50406 1/20 0.38
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6540801 1.00 OPRK1 (0.47) OPRK1OPRM1OPRD1KCNH2TAAR1
SCHEMBL6540170 0.94 OPRK1 (0.46) OPRK1OPRM1OPRD1KCNH2TAAR1
SCHEMBL6540160 0.94 OPRK1 (0.46) OPRK1OPRM1OPRD1KCNH2TAAR1
SCHEMBL6540171 0.94 OPRK1 (0.46) OPRK1OPRM1OPRD1KCNH2TAAR1
SCHEMBL6540503 0.93 OPRK1 (0.41) OPRK1OPRM1OPRD1KCNH2TAAR1
SCHEMBL6540495 0.93 OPRK1 (0.41) OPRK1OPRM1OPRD1KCNH2TAAR1
SCHEMBL6676621 0.90 OPRM1 (0.40) OPRK1OPRM1OPRD1ADRB2ADRB3
SCHEMBL6676614 0.90 OPRM1 (0.40) OPRK1OPRM1OPRD1ADRB2ADRB3
SCHEMBL6539976 0.89 OPRK1 (0.39) OPRK1OPRM1OPRD1KCNH2TAAR1
SCHEMBL6539968 0.89 OPRK1 (0.39) OPRK1OPRM1OPRD1KCNH2TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 OPRK1 89/4885OPRM1 180/4885OPRD1 68/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.